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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:N-methylmesoporphyrin
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Accession:CHEBI:44085 term browser browse the term
Definition:A mesoporphyrin with an N-methyl substituent at the 22-position.
Synonyms:exact_synonym: 3,3'-(8,13-diethyl-3,7,12,17,22-pentamethyl-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid
 related_synonym: 3,3'-(8,13-diethyl-3,7,12,17,22-pentamethylporphyrin-2,18-diyl)dipropanoic acid;   Formula=C35H40N4O4;   InChI=1S/C35H40N4O4/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28/h14-17,36H,8-13H2,1-7H3,(H,40,41)(H,42,43)/b26-14-,27-16-,28-17-,29-14-,30-15-,31-15-,32-16-,33-17-;   InChIKey=YNWHQWMCLCANDI-YIYRCNGCSA-N;   N-methylmesoporphyrin IX;   SMILES=CCC1=C(C)\\C2=C\\C3=C(CC)C(C)=C(\\C=C4/N=C(/C=C5\\N\\C(=C/C1=N2)C(C)=C5CCC(O)=O)C(CCC(O)=O)=C4C)N3C
 xref: CAS:130641-26-8;   DrugBank:DB01911;   PDB:1N7M;   PDB:1NGW;   PDBeChem:MMP;   PMID:10704318;   PMID:12552112;   PMID:15600337;   PMID:17756791;   PMID:23181361;   PMID:33206666;   Reaxys:9980853
 cyclic_relationship: is_conjugate_acid_of CHEBI:176424


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  CHEBI ontology 494
    role 501
      biological role 494
        epitope 18
          N-methylmesoporphyrin 0
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  CHEBI ontology 494
    subatomic particle 494
      composite particle 494
        hadron 501
          baryon 494
            nucleon 494
              atomic nucleus 494
                atom 494
                  main group element atom 487
                    p-block element atom 487
                      carbon group element atom 476
                        carbon atom 482
                          organic molecular entity 475
                            organic molecule 466
                              organic cyclic compound 449
                                organic heterocyclic compound 419
                                  organonitrogen heterocyclic compound 375
                                    polypyrrole 0
                                      tetrapyrrole 0
                                        cyclic tetrapyrrole 0
                                          porphyrins 0
                                            mesoporphyrins 0
                                              N-methylmesoporphyrin 0
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